trimethylsilyl 2-amino-4-methylsulfanylbutanoate

C8H19NO2SSi — CID 6430529

IUPACtrimethylsilyl 2-amino-4-methylsulfanylbutanoate
SMILESCSCCC(N)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H19NO2SSi/c1-12-6-5-7(9)8(10)11-13(2,3)4/h7H,5-6,9H2,1-4H3
InChIKeyDJSOWYSMQHQIEA-UHFFFAOYSA-N
MW221.40 g/mol
LogP1.44
Rot. Bonds5

About trimethylsilyl 2-amino-4-methylsulfanylbutanoate

trimethylsilyl 2-amino-4-methylsulfanylbutanoate (PubChem CID 6430529) has the molecular formula C8H19NO2SSi and a molecular weight of 221.40 g/mol. Its IUPAC name is trimethylsilyl 2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-amino-4-methylsulfanylbutanoate
PubChem CID6430529
Molecular FormulaC8H19NO2SSi
Molecular Weight221.40 g/mol
Exact Mass221.09
IUPAC Nametrimethylsilyl 2-amino-4-methylsulfanylbutanoate
SMILESCSCCC(N)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H19NO2SSi/c1-12-6-5-7(9)8(10)11-13(2,3)4/h7H,5-6,9H2,1-4H3
InChIKeyDJSOWYSMQHQIEA-UHFFFAOYSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-amino-4-methylsulfanylbutanoate?
The IUPAC name of trimethylsilyl 2-amino-4-methylsulfanylbutanoate (CID 6430529) is trimethylsilyl 2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for trimethylsilyl 2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for trimethylsilyl 2-amino-4-methylsulfanylbutanoate is CSCCC(N)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-amino-4-methylsulfanylbutanoate?
The InChIKey is DJSOWYSMQHQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2SSi/c1-12-6-5-7(9)8(10)11-13(2,3)4/h7H,5-6,9H2,1-4H3.
What are the key properties of trimethylsilyl 2-amino-4-methylsulfanylbutanoate?
trimethylsilyl 2-amino-4-methylsulfanylbutanoate has a molecular weight of 221.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 6430529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).